Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6215853 | 0.81 | SIRT3 (0.59) | SIRT3TDP1RPS6KA3HTTTGFBR1 | |
| SCHEMBL3818665 | 0.76 | SIRT3 (0.43) | CYP2A6SIRT3TDP1RPS6KA3ALOX5 | |
| SCHEMBL4582070 | 0.76 | KDM4C (0.50) | SIRT3TDP1RPS6KA3TGFBR1KDM4C | |
| SCHEMBL3816767 | 0.75 | TDP1 (0.66) | CYP2A6SIRT3TDP1BAZ2BLMNA | |
| Hydrochloric Acid SCHEMBL5740286 | 0.74 | KDM4C (0.49) | SIRT3TDP1RPS6KA3TGFBR1KDM4C | |
| SCHEMBL19523059 | 0.72 | TGFBR1 (0.53) | SIRT3TDP1LMNATGFBR1KDM4C | |
| SCHEMBL12261441 | 0.71 | MKNK1 (0.44) | SIRT3TDP1RPS6KA3LMNATGFBR1 | |
| SCHEMBL12261518 | 0.71 | KDM4E (0.56) | HTTLMNAPOLBTGFBR1TSHR | |
| SCHEMBL18776140 | 0.71 | CYP3A4 (0.44) | SIRT3TDP1RPS6KA3ALOX5TGFBR1 | |
| SCHEMBL5342341 | 0.71 | CYP2A6 (0.47) | CYP2A6SIRT3TDP1BAZ2BLMNA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040267017-A1 | 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors | BAYER PHARMACEUTICALS CORPORATION | 2004-12-30 | — | — | US | disclosed |
| EP-1432706-A2 | 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS | Bayer Pharmaceuticals Corporation (US) | 2004-06-30 | — | — | EP | disclosed |
| WO-2003027085-A2 | 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040267017-A1 | 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors | CYP17A1, CYP21A2, HSD17B1 | CYP2A6 127/4885SIRT3 1031/4885TDP1 695/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.